RDKit 3D 46 49 0 0 0 0 0 0 0 0999 V2000 -4.3202 -4.1115 2.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5768 -3.2580 1.3719 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3578 -2.4149 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5797 -2.3884 0.6702 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4994 -1.5814 -0.3064 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2044 -1.0506 0.3358 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0455 0.2855 -0.3003 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1845 0.5734 -1.1044 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1996 -0.3391 -0.6747 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4878 1.3238 0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0121 2.5392 -0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3324 3.2344 0.7173 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5498 2.5682 1.9137 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0392 1.2948 1.6662 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0352 2.8300 -1.5137 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0219 -1.9739 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -1.6108 0.7663 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2978 -0.3672 -0.3598 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4919 -0.8354 -1.1334 N 0 0 0 0 0 4 0 0 0 0 0 0 3.4839 -0.0568 -0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.0966 -1.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 0.8938 -1.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2465 1.9706 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0021 2.0768 0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0637 1.0336 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8386 0.8529 0.3170 N 0 0 0 0 0 4 0 0 0 0 0 0 6.2114 3.0171 0.2926 N 0 0 0 0 0 4 0 0 0 0 0 0 7.3552 2.9156 -0.1571 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8029 3.9138 1.0382 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.6061 -4.7263 2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8952 -3.5159 2.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9759 -4.7727 1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3027 -2.1747 -1.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 -0.9676 1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5454 1.5299 -0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9373 -0.5222 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9737 3.8262 -1.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7839 2.4099 -2.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8633 -1.9908 -1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2607 -3.0010 0.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -0.0291 -1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5376 -1.6725 -1.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2037 -0.8764 -2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6993 0.9085 -1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 2.8714 1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 1.4644 0.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 11 15 1 0 6 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 23 27 1 0 27 28 2 0 27 29 1 0 9 5 1 0 14 10 2 0 26 18 1 0 25 20 1 0 1 30 1 0 1 31 1 0 1 32 1 0 5 33 1 6 6 34 1 1 8 35 1 0 9 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 18 41 1 6 19 42 1 0 21 43 1 0 22 44 1 0 24 45 1 0 26 46 1 0 M CHG 4 19 1 26 1 27 1 29 -1 M END